AC1MH2BL
N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: BAS 09530340|AK-968/41021736|N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide|N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide|N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
| Molecular Formula | C19H18F2N6OS |
|---|---|
| Molecular Weight | 416.12308 g/mol |
| LogP | 4.0707 |
| Topological Polar Surface Area | 95.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.12308 |
| Monoisotopic Mass | 416.12308 |
| Heavy Atoms | 29 |
| Complexity | 1145.9622 |
Chemical Identifiers
| CAS Number | 445035-32-5 |
|---|---|
| SMILES | CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=NN4C(=CC(=NC4=N3)C)C(F)F |
Product Overview
AC1MH2BL (CAS 445035-32-5), with molecular formula C19H18F2N6OS and molecular weight 416.12308 g/mol. IUPAC: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
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